==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-JUN-01 1JGM . COMPND 2 MOLECULE: PHOSPHOTRIESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BREVUNDIMONAS DIMINUTA; . AUTHOR M.M.BENNING,H.SHIM,F.M.RAUSHEL,H.M.HOLDEN . 665 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23833.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 482 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 64 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 34 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 80 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 226 34.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 30 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 7 0 0 6 4 2 0 4 0 4 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 10 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 33 A T 0 0 104 0, 0.0 328,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 129.7 34.7 16.7 17.0 2 34 A G - 0 0 25 326,-4.1 12,-0.1 1,-0.1 327,-0.0 -0.297 360.0-152.2 -67.9 140.0 32.2 13.8 17.1 3 35 A D S S+ 0 0 118 -2,-0.1 11,-1.1 324,-0.1 2,-0.4 0.558 75.1 56.5 -88.9 -5.1 29.1 14.1 19.2 4 36 A R E -A 13 0A 144 9,-0.2 2,-0.5 324,-0.1 9,-0.2 -0.986 60.1-154.4-136.8 146.2 28.7 10.4 19.8 5 37 A I E -A 12 0A 2 7,-2.5 7,-2.4 -2,-0.4 2,-0.3 -0.947 26.7-125.1-112.4 127.4 30.8 7.5 21.1 6 38 A N E +A 11 0A 44 -2,-0.5 2,-0.3 5,-0.2 88,-0.2 -0.584 35.2 172.6 -77.0 132.2 30.0 4.0 20.0 7 39 A T E > -A 10 0A 4 3,-1.2 3,-1.8 -2,-0.3 125,-0.3 -0.795 50.2 -95.8-127.9 173.2 29.3 1.5 22.7 8 40 A V T 3 S+ 0 0 6 84,-2.5 85,-0.1 1,-0.3 74,-0.1 0.606 127.7 47.7 -68.8 -11.5 28.1 -2.1 22.7 9 41 A R T 3 S- 0 0 66 1,-0.5 -1,-0.3 83,-0.2 84,-0.1 0.256 127.1 -90.2-107.6 6.2 24.5 -0.8 23.2 10 42 A G E < S-A 7 0A 22 -3,-1.8 -3,-1.2 122,-0.1 -1,-0.5 -0.646 71.1 -19.4 116.2-174.6 24.8 1.8 20.5 11 43 A P E -A 6 0A 60 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.410 54.7-168.7 -71.2 142.6 25.9 5.4 20.3 12 44 A I E -A 5 0A 8 -7,-2.4 -7,-2.5 -2,-0.1 2,-0.1 -0.902 26.1-109.2-124.5 157.9 26.0 7.5 23.5 13 45 A T E >> -A 4 0A 53 -2,-0.3 3,-1.2 -9,-0.2 4,-0.8 -0.504 34.0-107.9 -83.1 160.4 26.5 11.3 23.7 14 46 A I H >> S+ 0 0 40 -11,-1.1 3,-1.2 1,-0.3 4,-0.5 0.905 119.7 54.1 -52.0 -42.4 29.7 12.6 25.0 15 47 A S H 34 S+ 0 0 105 1,-0.2 3,-0.4 2,-0.2 -1,-0.3 0.785 98.5 63.9 -66.1 -25.2 28.0 13.7 28.3 16 48 A E H <4 S+ 0 0 100 -3,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.716 86.2 74.2 -72.2 -18.5 26.6 10.2 28.9 17 49 A A H << + 0 0 2 -3,-1.2 -1,-0.2 -4,-0.8 47,-0.2 0.919 69.6 159.1 -61.6 -43.4 30.1 8.8 29.2 18 50 A G < + 0 0 18 -4,-0.5 2,-0.3 -3,-0.4 305,-0.1 -0.140 58.5 10.7 55.0-151.7 30.6 10.3 32.7 19 51 A F S S- 0 0 34 43,-0.3 45,-2.8 303,-0.1 46,-1.8 -0.418 84.9-170.5 -59.8 115.9 33.3 8.7 35.0 20 52 A T E -b 65 0B 2 298,-2.4 2,-0.6 -2,-0.3 246,-0.2 -0.950 28.7-149.0-124.9 137.0 35.2 6.3 32.6 21 53 A L E -b 66 0B 0 44,-2.1 46,-2.1 -2,-0.4 3,-0.2 -0.891 18.3-163.6 -95.5 114.0 37.8 3.6 33.1 22 54 A T E S+ 0 0 6 244,-0.9 2,-0.2 -2,-0.6 245,-0.1 0.485 71.1 39.7 -86.2 -1.8 39.8 3.7 29.8 23 55 A H E S+ 0 0 3 243,-0.1 246,-1.9 45,-0.1 245,-0.4 -0.755 78.7 115.5-149.2 95.6 41.7 0.3 29.9 24 56 A E E -b 68 0B 0 43,-2.1 45,-2.2 -2,-0.2 2,-0.3 -0.868 40.7-143.7-147.0 178.7 39.8 -2.8 31.2 25 57 A H - 0 0 5 245,-1.6 3,-0.2 -2,-0.3 247,-0.2 -0.995 17.6-152.8-149.6 148.2 38.5 -6.1 30.0 26 58 A I S S- 0 0 0 1,-0.4 246,-2.6 -2,-0.3 247,-0.7 0.892 96.0 -0.1 -81.2 -44.3 35.5 -8.2 30.6 27 59 A C E -d 273 0C 10 244,-0.2 2,-0.8 245,-0.2 -1,-0.4 -0.965 61.8-147.2-149.6 130.1 37.7 -11.3 29.7 28 60 A G E +d 274 0C 3 245,-2.7 247,-2.9 -2,-0.3 248,-1.0 -0.867 54.6 115.3 -96.1 104.7 41.4 -11.6 28.7 29 61 A S - 0 0 0 45,-2.6 2,-0.3 -2,-0.8 46,-0.2 -0.371 59.6 -80.2-141.4-141.8 41.4 -14.6 26.3 30 62 A S >> - 0 0 0 45,-0.2 3,-1.9 -2,-0.1 4,-0.6 -0.964 54.8 -75.6-139.5 153.8 42.1 -15.7 22.8 31 63 A A T 34 S- 0 0 12 42,-0.3 333,-0.1 -2,-0.3 334,-0.1 -0.273 117.2 -1.4 -52.4 129.9 40.1 -15.7 19.5 32 64 A G T 3> S+ 0 0 30 44,-0.2 4,-2.0 333,-0.1 -1,-0.3 0.223 103.1 110.8 71.7 -9.8 37.4 -18.4 19.6 33 65 A F H <> S+ 0 0 0 -3,-1.9 4,-2.9 2,-0.2 -2,-0.1 0.936 71.4 50.4 -62.6 -52.7 38.5 -19.7 23.0 34 66 A L H < S+ 0 0 7 -4,-0.6 -1,-0.2 1,-0.2 7,-0.1 0.887 116.5 44.6 -56.1 -37.1 35.6 -18.6 25.2 35 67 A R H 4 S+ 0 0 100 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.820 117.6 42.5 -78.9 -28.1 33.2 -20.3 22.7 36 68 A A H < S+ 0 0 0 -4,-2.0 424,-0.4 1,-0.2 -2,-0.2 0.791 132.7 18.1 -89.1 -22.5 35.2 -23.4 22.2 37 69 A W >< + 0 0 19 -4,-2.9 3,-1.9 -5,-0.2 4,-0.3 -0.389 64.4 154.0-143.1 59.4 36.1 -24.0 25.9 38 70 A P G > S+ 0 0 20 0, 0.0 3,-2.1 0, 0.0 9,-0.1 0.798 70.2 71.9 -59.0 -28.7 33.7 -21.9 28.1 39 71 A E G > S+ 0 0 94 1,-0.3 3,-2.1 2,-0.2 -5,-0.1 0.664 77.3 76.8 -62.2 -18.2 34.3 -24.5 31.0 40 72 A F G < S+ 0 0 44 -3,-1.9 -1,-0.3 1,-0.3 3,-0.1 0.822 102.9 40.4 -61.5 -25.4 37.7 -23.1 31.4 41 73 A F G < S- 0 0 30 -3,-2.1 2,-1.7 -4,-0.3 -1,-0.3 0.095 126.0-102.0-107.3 21.9 35.8 -20.2 33.1 42 74 A G S < S- 0 0 55 -3,-2.1 2,-0.3 4,-0.1 3,-0.1 -0.545 90.3 -28.2 91.9 -68.8 33.4 -22.5 34.9 43 75 A S > - 0 0 44 -2,-1.7 4,-2.3 1,-0.1 5,-0.2 -0.964 59.2-106.2-168.5 162.3 30.8 -21.6 32.3 44 76 A R H > S+ 0 0 64 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.931 123.9 50.5 -64.3 -39.1 29.9 -18.8 30.0 45 77 A K H > S+ 0 0 142 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.894 108.5 50.7 -63.2 -40.7 27.0 -18.1 32.4 46 78 A A H > S+ 0 0 37 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.925 112.0 47.8 -63.7 -40.9 29.3 -18.1 35.4 47 79 A L H X S+ 0 0 4 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.935 112.2 49.1 -65.6 -44.3 31.7 -15.6 33.7 48 80 A A H X S+ 0 0 4 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.927 112.0 48.8 -60.6 -43.1 28.8 -13.4 32.7 49 81 A E H X S+ 0 0 89 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.902 111.5 49.4 -63.2 -41.9 27.4 -13.4 36.2 50 82 A K H X S+ 0 0 51 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.920 112.1 48.5 -63.1 -42.4 30.8 -12.6 37.7 51 83 A A H X S+ 0 0 0 -4,-2.5 4,-3.1 1,-0.2 -2,-0.2 0.897 110.2 51.3 -64.7 -40.1 31.2 -9.8 35.2 52 84 A V H X S+ 0 0 30 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.936 110.3 49.1 -65.3 -44.5 27.7 -8.4 36.1 53 85 A R H X S+ 0 0 116 -4,-2.7 4,-2.3 2,-0.2 5,-0.2 0.964 115.1 44.7 -57.2 -49.5 28.5 -8.5 39.8 54 86 A G H X S+ 0 0 11 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.928 113.7 48.1 -61.2 -47.5 31.8 -6.6 39.2 55 87 A L H X S+ 0 0 0 -4,-3.1 4,-2.7 -5,-0.2 -1,-0.2 0.909 111.1 51.9 -61.8 -39.3 30.3 -4.1 36.8 56 88 A R H X S+ 0 0 163 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.903 111.8 46.8 -64.2 -40.3 27.4 -3.4 39.3 57 89 A R H X S+ 0 0 159 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.892 112.8 49.0 -69.4 -38.3 29.8 -2.8 42.1 58 90 A A H <>S+ 0 0 2 -4,-2.4 5,-2.5 -5,-0.2 -2,-0.2 0.928 111.7 49.2 -66.5 -39.4 31.9 -0.6 40.0 59 91 A R H ><5S+ 0 0 115 -4,-2.7 3,-2.2 1,-0.2 -2,-0.2 0.911 106.4 56.0 -64.4 -40.1 28.8 1.3 38.9 60 92 A A H 3<5S+ 0 0 89 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.888 106.1 53.6 -57.6 -37.1 27.8 1.6 42.6 61 93 A A T 3<5S- 0 0 28 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.365 132.5 -92.1 -80.6 5.5 31.2 3.3 43.1 62 94 A G T < 5S+ 0 0 25 -3,-2.2 2,-0.4 1,-0.3 -43,-0.3 0.384 76.5 141.9 103.7 -4.2 30.5 5.8 40.3 63 95 A V < + 0 0 0 -5,-2.5 -1,-0.3 1,-0.2 -43,-0.2 -0.612 17.6 172.9 -75.3 127.8 31.9 4.2 37.2 64 96 A R + 0 0 152 -45,-2.8 27,-2.4 -2,-0.4 2,-0.3 0.706 63.5 17.4-103.8 -29.5 29.6 5.0 34.3 65 97 A T E -bc 20 91B 1 -46,-1.8 -44,-2.1 25,-0.2 2,-0.3 -0.996 57.0-165.1-144.6 148.3 31.6 3.6 31.3 66 98 A I E -bc 21 92B 0 25,-2.5 27,-2.3 -2,-0.3 2,-0.6 -0.947 18.4-137.4-129.1 151.6 34.5 1.2 30.8 67 99 A V E - c 0 93B 0 -46,-2.1 -43,-2.1 -2,-0.3 2,-1.0 -0.962 15.3-151.5-110.6 113.9 36.5 0.8 27.6 68 100 A D E -b 24 0B 1 25,-2.7 27,-0.4 -2,-0.6 -43,-0.2 -0.795 8.7-168.7 -89.6 104.4 37.1 -2.9 27.0 69 101 A V + 0 0 0 -45,-2.2 2,-0.5 -2,-1.0 -44,-0.1 0.084 38.7 133.4 -84.7 24.3 40.4 -2.9 25.1 70 102 A S - 0 0 1 -46,-0.2 25,-0.6 4,-0.1 2,-0.1 -0.657 39.6-162.0 -77.4 120.4 40.1 -6.6 24.1 71 103 A T > > - 0 0 0 -2,-0.5 5,-2.1 23,-0.1 3,-1.5 -0.348 41.2 -84.2 -91.5-179.5 40.9 -7.0 20.5 72 104 A F G > 5S+ 0 0 9 25,-0.7 3,-1.5 1,-0.3 26,-0.1 0.927 132.9 48.8 -48.9 -50.7 40.1 -9.9 18.2 73 105 A D G 3 5S+ 0 0 2 24,-0.3 -42,-0.3 1,-0.3 -1,-0.3 0.568 101.2 61.5 -72.5 -9.1 43.3 -11.7 19.5 74 106 A I G < 5S- 0 0 4 -3,-1.5 -45,-2.6 -44,-0.2 -1,-0.3 0.317 121.9-110.1 -92.4 2.2 42.4 -11.0 23.1 75 107 A G T < 5 - 0 0 10 -3,-1.5 -45,-0.2 -4,-0.3 -41,-0.2 0.798 46.1-169.8 76.1 24.7 39.3 -13.1 22.3 76 108 A R < - 0 0 12 -5,-2.1 2,-0.6 -47,-0.1 -44,-0.2 -0.195 7.6-165.0 -49.1 130.0 36.9 -10.2 22.6 77 109 A D >> - 0 0 11 1,-0.1 4,-2.0 -50,-0.1 3,-0.6 -0.871 3.6-171.3-122.6 91.1 33.3 -11.6 22.5 78 110 A V H 3> S+ 0 0 0 -2,-0.6 4,-3.1 1,-0.3 5,-0.2 0.820 83.6 60.4 -56.8 -31.2 31.1 -8.5 21.7 79 111 A S H 3> S+ 0 0 39 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.928 106.5 47.2 -62.4 -41.2 28.0 -10.5 22.4 80 112 A L H <> S+ 0 0 2 -3,-0.6 4,-2.7 2,-0.2 5,-0.3 0.920 111.3 51.6 -64.4 -42.9 29.2 -11.1 26.0 81 113 A L H X S+ 0 0 4 -4,-2.0 4,-2.6 1,-0.2 5,-0.2 0.945 111.6 47.3 -59.4 -46.7 30.1 -7.4 26.3 82 114 A A H X S+ 0 0 13 -4,-3.1 4,-2.3 2,-0.2 5,-0.2 0.928 111.5 50.5 -60.9 -43.9 26.6 -6.4 25.1 83 115 A E H X S+ 0 0 101 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.949 115.5 40.8 -60.4 -49.3 24.9 -8.9 27.5 84 116 A V H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 5,-0.3 0.868 111.8 56.0 -70.3 -33.8 26.8 -7.7 30.6 85 117 A S H X>S+ 0 0 0 -4,-2.6 4,-1.7 -5,-0.3 5,-1.5 0.947 112.4 42.9 -60.6 -47.7 26.6 -4.1 29.6 86 118 A R H <5S+ 0 0 154 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.929 115.4 48.3 -64.8 -46.1 22.8 -4.4 29.5 87 119 A A H <5S+ 0 0 65 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.891 122.5 32.7 -66.4 -37.2 22.5 -6.5 32.6 88 120 A A H <5S- 0 0 3 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.630 102.5-129.2 -92.8 -12.2 24.7 -4.2 34.8 89 121 A D T <5 + 0 0 75 -4,-1.7 2,-0.4 -5,-0.3 -3,-0.2 0.954 60.9 134.7 60.6 56.5 23.7 -1.0 33.0 90 122 A V < - 0 0 3 -5,-1.5 -1,-0.2 -6,-0.2 -25,-0.2 -0.999 59.0-116.8-130.2 132.7 27.3 0.2 32.4 91 123 A H E -c 65 0B 29 -27,-2.4 -25,-2.5 -2,-0.4 2,-0.4 -0.506 30.3-164.4 -69.8 138.0 28.4 1.6 29.1 92 124 A I E -c 66 0B 0 -27,-0.2 -84,-2.5 -2,-0.2 2,-0.5 -0.989 8.1-154.9-127.2 124.3 31.0 -0.5 27.4 93 125 A V E -c 67 0B 0 -27,-2.3 -25,-2.7 -2,-0.4 2,-0.2 -0.865 18.0-145.4 -96.6 127.5 33.2 0.7 24.5 94 126 A A - 0 0 0 -2,-0.5 40,-3.1 38,-0.4 41,-0.7 -0.555 11.2-140.3 -91.8 159.8 34.5 -2.1 22.3 95 127 A A E -e 135 0D 0 -25,-0.6 41,-0.2 -27,-0.4 2,-0.2 -0.821 13.8-167.0-119.9 159.1 37.9 -2.1 20.6 96 128 A T E +e 136 0D 0 39,-2.3 41,-3.0 -2,-0.3 2,-0.2 -0.501 47.0 84.0-119.1-168.4 39.4 -3.2 17.3 97 129 A G E S-e 137 0D 0 39,-0.3 -25,-0.7 -2,-0.2 2,-0.3 -0.611 74.1 -85.1 105.0-168.2 43.1 -3.5 16.6 98 130 A L - 0 0 1 39,-1.3 41,-0.4 -2,-0.2 57,-0.1 -0.990 30.3-161.2-145.8 137.4 45.5 -6.4 17.2 99 131 A W - 0 0 29 -2,-0.3 40,-0.2 39,-0.2 52,-0.0 0.099 50.4 -69.5 -95.0-154.0 47.5 -7.3 20.4 100 132 A F S S+ 0 0 67 1,-0.2 48,-0.0 38,-0.1 41,-0.0 0.251 116.9 64.8 -96.5 20.7 50.4 -9.5 20.6 101 133 A D + 0 0 14 335,-0.0 -1,-0.2 2,-0.0 336,-0.1 -0.212 62.1 160.4-130.0 45.8 49.0 -12.9 19.9 102 134 A P - 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0 0 8 -3,-1.9 3,-1.9 1,-0.3 4,-0.2 -0.240 69.7 -0.4 52.3-130.1 40.3 -29.9 -6.3 626 325 B M G > S+ 0 0 4 1,-0.3 3,-0.7 2,-0.1 -1,-0.3 0.711 128.6 67.0 -63.8 -20.1 39.1 -32.7 -4.1 627 326 B A G <> S+ 0 0 5 -3,-2.3 4,-2.7 1,-0.2 5,-0.4 0.491 74.9 92.9 -78.5 -2.3 38.0 -34.7 -7.1 628 327 B F H <>>S+ 0 0 9 -3,-1.9 4,-2.6 2,-0.2 5,-1.8 0.911 79.6 55.0 -57.2 -43.4 41.6 -35.1 -8.1 629 328 B I H <4>S+ 0 0 0 -3,-0.7 5,-2.5 -4,-0.2 -1,-0.2 0.981 117.1 33.1 -56.6 -58.2 42.0 -38.4 -6.2 630 329 B P H 45S+ 0 0 18 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.866 123.7 44.8 -70.3 -32.6 39.1 -40.2 -7.9 631 330 B L H <5S+ 0 0 83 -4,-2.7 -2,-0.2 3,-0.1 -3,-0.2 0.836 133.7 5.9 -82.0 -30.2 39.4 -38.6 -11.3 632 331 B R T X5S+ 0 0 107 -4,-2.6 4,-1.8 -5,-0.4 -3,-0.2 0.751 125.3 49.1-119.6 -43.9 43.2 -38.8 -11.8 633 332 B V H > S+ 0 0 51 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.892 110.7 53.8 -62.5 -37.5 42.9 -44.3 -12.8 636 335 B F H X S+ 0 0 29 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.941 110.3 46.3 -62.1 -45.7 46.7 -43.6 -12.9 637 336 B L H <>S+ 0 0 1 -4,-2.6 5,-2.6 1,-0.2 -1,-0.2 0.899 110.7 52.5 -63.6 -41.4 47.3 -46.4 -10.3 638 337 B R H ><5S+ 0 0 116 -4,-2.5 3,-1.9 1,-0.2 -1,-0.2 0.932 107.9 51.7 -59.9 -43.3 45.0 -48.8 -12.2 639 338 B E H 3<5S+ 0 0 170 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.835 105.5 56.4 -62.0 -32.8 47.0 -48.1 -15.4 640 339 B K T 3<5S- 0 0 104 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.326 131.4 -93.4 -81.0 4.7 50.2 -48.8 -13.5 641 340 B G T < 5S+ 0 0 57 -3,-1.9 -3,-0.2 1,-0.3 -2,-0.2 0.469 74.2 145.7 100.9 -0.5 48.8 -52.3 -12.6 642 341 B V < - 0 0 7 -5,-2.6 -1,-0.3 -6,-0.1 -2,-0.1 -0.614 49.5-121.2 -74.3 127.5 47.1 -51.7 -9.2 643 342 B P >> - 0 0 74 0, 0.0 4,-2.4 0, 0.0 3,-1.2 -0.280 13.3-112.6 -72.3 151.7 44.1 -54.0 -9.1 644 343 B Q H 3> S+ 0 0 103 1,-0.3 4,-2.8 2,-0.2 5,-0.3 0.899 115.4 52.9 -39.6 -57.7 40.5 -52.9 -8.6 645 344 B E H 3> S+ 0 0 139 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.786 108.3 49.6 -56.0 -33.4 40.3 -54.6 -5.2 646 345 B T H <> S+ 0 0 20 -3,-1.2 4,-2.4 2,-0.2 -1,-0.2 0.887 110.3 50.1 -76.4 -39.4 43.3 -52.9 -3.9 647 346 B L H X S+ 0 0 4 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.906 113.0 47.1 -64.1 -39.0 42.1 -49.5 -5.0 648 347 B A H X>S+ 0 0 36 -4,-2.8 4,-2.2 -5,-0.2 5,-1.2 0.892 110.5 52.4 -68.5 -37.8 38.8 -50.1 -3.3 649 348 B G H <>S+ 0 0 16 -4,-1.6 5,-3.1 -5,-0.3 -2,-0.2 0.931 111.4 46.5 -64.7 -42.1 40.4 -51.3 -0.2 650 349 B I H <5S+ 0 0 5 -4,-2.4 -51,-0.3 3,-0.2 -2,-0.2 0.904 120.0 37.4 -68.3 -41.5 42.6 -48.2 0.1 651 350 B T H <5S+ 0 0 6 -4,-2.1 -298,-2.6 -5,-0.2 -2,-0.2 0.649 135.8 15.4 -85.6 -18.4 39.8 -45.7 -0.6 652 351 B V T X5S+ 0 0 55 -4,-2.2 4,-2.0 -300,-0.2 -3,-0.2 0.695 126.4 41.4-117.8 -60.1 37.0 -47.5 1.3 653 352 B T H > S+ 0 0 2 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.890 112.2 51.8 -61.9 -39.3 39.4 -45.2 6.0 656 355 B A H X S+ 0 0 17 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.935 111.7 46.5 -61.3 -46.7 36.5 -47.2 7.5 657 356 B R H < S+ 0 0 102 -4,-2.6 -1,-0.2 2,-0.2 -3,-0.2 0.895 116.5 45.5 -61.3 -41.6 38.9 -49.2 9.7 658 357 B F H < S+ 0 0 2 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.943 115.7 43.9 -68.7 -48.1 40.7 -46.1 10.8 659 358 B L H < S+ 0 0 3 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.769 86.1 101.1 -71.9 -28.7 37.7 -44.0 11.5 660 359 B S S < S- 0 0 17 -4,-2.3 -322,-0.1 -5,-0.2 -324,-0.1 -0.413 87.7-113.2 -58.2 121.5 35.8 -46.7 13.4 661 360 B P - 0 0 32 0, 0.0 2,-0.4 0, 0.0 -164,-0.2 -0.375 43.4-176.5 -59.4 128.4 36.3 -45.7 17.1 662 361 B T - 0 0 65 -166,-2.2 -166,-0.2 -4,-0.2 2,-0.2 -0.938 14.2-155.9-138.1 114.1 38.4 -48.5 18.6 663 362 B L - 0 0 112 -2,-0.4 2,-0.1 -168,-0.1 -170,-0.1 -0.492 34.9 -97.5 -83.7 155.3 39.5 -48.8 22.2 664 363 B R - 0 0 156 -171,-0.4 -1,-0.1 -2,-0.2 -142,-0.0 -0.423 46.2-102.6 -69.3 142.7 42.6 -50.8 23.2 665 364 B A 0 0 87 -2,-0.1 -1,-0.1 1,-0.1 -3,-0.0 -0.278 360.0 360.0 -61.4 154.6 41.8 -54.3 24.3 666 365 B S 0 0 178 -3,-0.1 -1,-0.1 0, 0.0 -3,-0.0 -0.317 360.0 360.0 -70.5 360.0 41.9 -54.7 28.1